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All data (experiment and calculated) in the CCCBDB for BHF2 (Difluoroborane)

1907021335
Other names
Difluoroborane;
INChI
InChI=1S/BF2H/c2-1-3/h1H

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Energies
Entropies
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   305  
Energy 298.15K   296  
Atomization Enthalpy 298.15K x234x
Atomization Enthalpy 0K x235x
Entropy (298.15K) entropy x199x
Entropy at any temperature   199  
Integrated Heat Capacity integrated heat capacity x199x
Heat Capacity (Cp) Heat capacity x199x
Nuclear Repulsion Energy   254  
HOMO-LUMO Energies HOMO energies   252  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x215  
Internal Coordinates bond lengths bond angles x214x
Products of moments of inertia moments of inertia x234x
Rotational Constants rotational constants x239x
Point Group  241 
Vibrations Vibrational Frequencies vibrations fun. 234x
Vibrational Intensities  240 
Zero-point energies  234 
Vibrational scaling factors  
Anharmonic frequencies and constants   1  
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   203  
Dipole dipole x196x
Quadrupole quadrupole  187 
Polarizability polarizability  176 
Other results Spin   0  
Number of basis functions   6  
Conformations   1